SCHEMBL28111777

SCHEMBL28111777

NCc1ccc(-n2ccnc2-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.48
MAPK10 P53779 1/20 0.48
TAAR1 Q96RJ0 1/20 0.47
KDR P35968 7/20 0.44
ADRB2 P07550 1/20 0.42
P2RX4 Q99571 1/20 0.41
AKT1 P31749 3/20 0.40
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2D6 P10635 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
AKT2 P31751 2/20 0.40
AKT3 Q9Y243 2/20 0.40
ALOX15B O15296 2/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28226926 0.84 L3MBTL1 (0.57) MAPK9MAPK10KDRP2RX4CYP1A2
SCHEMBL8698318 0.84 MAPK9 (0.48) MAPK9MAPK10KDRP2RX4CYP1A2
Benzene SCHEMBL27839441 0.83 MAPK9 (0.54) MAPK9MAPK10KDRP2RX4CYP1A2
SCHEMBL528245 0.83 MAPK9 (0.54) MAPK9MAPK10KDRP2RX4CYP1A2
SCHEMBL17743635 0.82 MAPK9 (0.51) MAPK9MAPK10TAAR1KDRP2RX4
SCHEMBL28237433 0.82 HSD11B1 (0.49) MAPK9MAPK10KDRP2RX4CYP1A2
Hydrochloric Acid SCHEMBL27683877 0.81 MAPK9 (0.53) MAPK9MAPK10KDRP2RX4CYP1A2
SCHEMBL26562756 0.80 KDR (0.55) MAPK9MAPK10KDRP2RX4SMN1; SMN2
SCHEMBL27721362 0.80 MAPK9 (0.47) MAPK9MAPK10KDRP2RX4CYP1A2
SCHEMBL20918400 0.79 MAPK9 (0.51) MAPK9MAPK10KDRP2RX4CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106238098-B A kind of preparation method and its catalyst for preparing of 1,2,4,5- tetra- substituted ramification of imidazole 马鞍山市泰博化工科技有限公司 2018-10-09 CN disclosed
CN-106238098-A The preparation method of a kind of 1,2,4,5 four substituted ramification of imidazole and catalyst for preparing thereof 马鞍山市泰博化工科技有限公司 2016-12-21 CN disclosed